• Gregor Michalicek's avatar
    Quick fix for Fe_bct test · 67243b2f
    Gregor Michalicek authored
    The test failed because the unrotated input density was not kept for the mixer.
    I solved it by introducing an inDenRot variable that is a copy of inDen and then
    gets rotated in rhodirgen if that soubroutine is in the program flow. It is only
    used as an input to those subroutines that require the rotated input density or
    are insensitive to it.
    67243b2f
Name
Last commit
Last update
cdn Loading commit data...
cdn_mt Loading commit data...
cmake Loading commit data...
core Loading commit data...
diagonalization Loading commit data...
docs Loading commit data...
dos Loading commit data...
eels Loading commit data...
eigen Loading commit data...
eigen_secvar Loading commit data...
eigen_soc Loading commit data...
fermi Loading commit data...
force Loading commit data...
global Loading commit data...
hybrid Loading commit data...
include Loading commit data...
init Loading commit data...
inpgen Loading commit data...
io Loading commit data...
juDFT Loading commit data...
ldau Loading commit data...
main Loading commit data...
math Loading commit data...
mix Loading commit data...
mpi Loading commit data...
optional Loading commit data...
orbdep Loading commit data...
tests Loading commit data...
types Loading commit data...
vgen Loading commit data...
wannier Loading commit data...
xc-pot Loading commit data...
.gitignore Loading commit data...
.gitlab-ci.yml Loading commit data...
CMakeLists.txt Loading commit data...
LICENSE Loading commit data...
README Loading commit data...
README.md Loading commit data...
configure.sh Loading commit data...